BDBM278620 (2E)-3-(1-{[5-[1- (Dimethylamino)cyclopropyl]- 3-(2,4,6-trichlorophenyl)-1,2- oxazol-4-yl]carbonyl}-3- methyl-1H-indol-4-yl)prop-2- enoic acid ::US10040791, Example 82

SMILES: CN(C)C1(CC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl

InChI Key: InChIKey=ADKCWUPCLIWNNO-BQYQJAHWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 278620   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
IDH1 R132C (Homo sapiens (Human))	BDBM278620 ((2E)-3-(1-{[5-[1- (Dimethylamino)cyclopropyl]- 3-(...) Show SMILES CN(C)C1(CC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl |(-.89,4.78,;.2,3.69,;1.69,4.09,;-.2,2.2,;.2,.71,;1.29,1.8,;-1.69,1.8,;-2.93,2.71,;-4.18,1.8,;-3.7,.34,;-2.16,.34,;-1.39,-1,;-2.16,-2.33,;.15,-1,;1.05,.25,;2.52,-.23,;3.85,.54,;2.52,-1.77,;3.66,-2.8,;5.13,-2.32,;5.45,-.81,;6.91,-.34,;8.06,-1.37,;7.23,1.17,;3.34,-4.3,;1.88,-4.78,;.73,-3.75,;1.05,-2.24,;-4.79,-.75,;-6.28,-.35,;-6.68,1.14,;-7.37,-1.44,;-6.97,-2.93,;-8.06,-4.02,;-5.48,-3.33,;-4.39,-2.24,;-2.9,-2.64,)| Show InChI InChI=1S/C27H22Cl3N3O4/c1-14-13-33(19-6-4-5-15(21(14)19)7-8-20(34)35)26(36)23-24(22-17(29)11-16(28)12-18(22)30)31-37-25(23)27(9-10-27)32(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,34,35)/b8-7+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	n/a	n/a	n/a	n/a	7.5	25
Daiichi Sankyo Company, Limited; National Cancer Center US Patent					Assay Description The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...				US Patent US10040791 (2018) BindingDB Entry DOI: 10.7270/Q2JS9SF8
					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM278620 ((2E)-3-(1-{[5-[1- (Dimethylamino)cyclopropyl]- 3-(...) Show SMILES CN(C)C1(CC1)c1onc(c1C(=O)n1cc(C)c2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl |(-.89,4.78,;.2,3.69,;1.69,4.09,;-.2,2.2,;.2,.71,;1.29,1.8,;-1.69,1.8,;-2.93,2.71,;-4.18,1.8,;-3.7,.34,;-2.16,.34,;-1.39,-1,;-2.16,-2.33,;.15,-1,;1.05,.25,;2.52,-.23,;3.85,.54,;2.52,-1.77,;3.66,-2.8,;5.13,-2.32,;5.45,-.81,;6.91,-.34,;8.06,-1.37,;7.23,1.17,;3.34,-4.3,;1.88,-4.78,;.73,-3.75,;1.05,-2.24,;-4.79,-.75,;-6.28,-.35,;-6.68,1.14,;-7.37,-1.44,;-6.97,-2.93,;-8.06,-4.02,;-5.48,-3.33,;-4.39,-2.24,;-2.9,-2.64,)| Show InChI InChI=1S/C27H22Cl3N3O4/c1-14-13-33(19-6-4-5-15(21(14)19)7-8-20(34)35)26(36)23-24(22-17(29)11-16(28)12-18(22)30)31-37-25(23)27(9-10-27)32(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,34,35)/b8-7+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	25
Daiichi Sankyo Company, Limited; National Cancer Center US Patent					Assay Description The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...				US Patent US10040791 (2018) BindingDB Entry DOI: 10.7270/Q2JS9SF8
					More data for this Ligand-Target Pair